Geometry & MOs

Info

ID:	208022
PubChem CID:	80481785
Reduced:	NSO2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	286.077599
ΔH_f, kcal/mol:	-34.35
Dipole, Da:	4.55
IP(EA), eV:	-9.12(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-2-pyridin-3-ylacetamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)NCC2=C(C=CS2)C#CCO

DOS

IR

Vibrations